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MMsINC code: MMs00267920

Type: Neutral
Formula: C₂₂H₁₆N₂O₃

SMILES:

OC(=O)c1ccccc1C(=O)n1c2c(nc1Cc1ccccc1)cccc2

InChI:

InChI=1/C22H16N2O3/c25-21(16-10-4-5-11-17(16)22(26)27)24-19-13-7-6-12-18(19)23-20(24)14-15-8-2-1-3-9-15/h1-13H,14H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.808 kcal/mol

Physical Properties
Molecular Weight: 356.381 g/mol	logS: -5.45795	SlogP: 4.01377	Reactive groups: 0

Topological Properties
Globularity: 0.184983	Sterimol/B1: 2.78171	Sterimol/B2: 3.73982	Sterimol/B3: 5.44493
Sterimol/B4: 7.31823	Sterimol/L: 13.9745

Surface and Volume Properties
Accessible surface: 575.346	Positive charged surface: 315.346	Negative charged surface: 260	Volume: 335.625
Hydrophobic surface: 469.338	Hydrophilic surface: 106.008

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00267921
ASINEX-ZINC02293069